3-[4-(5-bromanylthiophen-2-yl)butanoylamino]benzoic acid

Systemtic Name: 3-[4-(5-bromanylthiophen-2-yl)butanoylamino]benzoic acid Openeye Name: 3-[4-(5-bromo-2-thienyl)butanoylamino]benzoic acid CAS Name: 3-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[4-(5-bromothiophen-2-yl)butanoylamino]benzoic acid Traditional Name: 3-[4-(5-bromo-2-thienyl)butanoylamino]benzoic acid Formula: C15H14BrNO3S MolecularWeight: 368.24556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCC2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C15H14BrNO3S/c16-13-8-7-12(21-13)5-2-6-14(18)17-11-4-1-3-10(9-11)15(19)20/h1,3-4,7-9H,2,5-6H2,(H,17,18)(H,19,20)